4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methylpyrazole-5-carboxamide

C14H21N5OS — CID 66124661

IUPAC4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NC(C)c1sc(C)nc1C
InChIInChI=1S/C14H21N5OS/c1-6-19-12(11(15)7(2)18-19)14(20)17-9(4)13-8(3)16-10(5)21-13/h9H,6,15H2,1-5H3,(H,17,20)
InChIKeyPDEXQONCRFWFSO-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.36
Rot. Bonds4

About 4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methylpyrazole-5-carboxamide

4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methylpyrazole-5-carboxamide (PubChem CID 66124661) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methylpyrazole-5-carboxamide
PubChem CID66124661
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NC(C)c1sc(C)nc1C
InChIInChI=1S/C14H21N5OS/c1-6-19-12(11(15)7(2)18-19)14(20)17-9(4)13-8(3)16-10(5)21-13/h9H,6,15H2,1-5H3,(H,17,20)
InChIKeyPDEXQONCRFWFSO-UHFFFAOYSA-N
XLogP2.36
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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4-amino-N-[1-(dimethylamino)propan-2-yl]-1-ethyl-3-methylpyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methylpyrazole-5-carboxamide (CID 66124661) is 4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methylpyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)NC(C)c1sc(C)nc1C.
What is the InChIKey of 4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methylpyrazole-5-carboxamide?
The InChIKey is PDEXQONCRFWFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-6-19-12(11(15)7(2)18-19)14(20)17-9(4)13-8(3)16-10(5)21-13/h9H,6,15H2,1-5H3,(H,17,20).
What are the key properties of 4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methylpyrazole-5-carboxamide?
4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methylpyrazole-5-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66124661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).